N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

C26H23ClN2O2 — CID 19607836

IUPACN-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESC=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2Cl)c2ccccc21
InChIInChI=1S/C26H23ClN2O2/c1-17-9-7-15-29(24-12-6-5-10-20(17)24)26(31)22-14-13-19(16-23(22)27)28-25(30)21-11-4-3-8-18(21)2/h3-6,8,10-14,16H,1,7,9,15H2,2H3,(H,28,30)
InChIKeyUFTZPYLSMULJSV-UHFFFAOYSA-N
MW430.94 g/mol
LogP6.35
Rot. Bonds3

About N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 19607836) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID19607836
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC NameN-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESC=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2Cl)c2ccccc21
InChIInChI=1S/C26H23ClN2O2/c1-17-9-7-15-29(24-12-6-5-10-20(17)24)26(31)22-14-13-19(16-23(22)27)28-25(30)21-11-4-3-8-18(21)2/h3-6,8,10-14,16H,1,7,9,15H2,2H3,(H,28,30)
InChIKeyUFTZPYLSMULJSV-UHFFFAOYSA-N
XLogP6.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-(5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 19608146
N-[3-chloro-4-[7-(dimethylamino)-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 70062130
N-[3-chloro-4-(4,5-dihydro-1H-pyrazolo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-methylbenzamide
CID 18940518
N-[3-chloro-4-(5-hydroxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 19608046
N-[3-chloro-4-[(5Z)-5-[3-(dimethylamino)propylidene]-7-fluoro-3,4-dihydro-2H-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 18917335
N-[3-chloro-4-[5-(cyclopentylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 19607923
N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide
CID 22903466
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
N-[5-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)thiophen-2-yl]-2-methylbenzamide
CID 22903493
N-[4-[(5E)-5-(cyanomethylidene)-3,4-dihydro-2H-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 11796452
N-[3-chloro-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
CID 19608001
N-[3-chloro-4-(4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carbonyl)phenyl]-2-phenylbenzamide
CID 91077102

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (CID 19607836) is N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is C=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2Cl)c2ccccc21.
What is the InChIKey of N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is UFTZPYLSMULJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-17-9-7-15-29(24-12-6-5-10-20(17)24)26(31)22-14-13-19(16-23(22)27)28-25(30)21-11-4-3-8-18(21)2/h3-6,8,10-14,16H,1,7,9,15H2,2H3,(H,28,30).
What are the key properties of N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 430.94 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 19607836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).